1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane

C24H25FN2 — CID 2294660

IUPAC1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane
SMILESFc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C24H25FN2/c25-23-15-8-7-14-22(23)24-26(18-20-10-3-1-4-11-20)16-9-17-27(24)19-21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19H2
InChIKeyCMYCMFFKLWWPFO-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.23
Rot. Bonds5

About 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane

1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane (PubChem CID 2294660) has the molecular formula C24H25FN2 and a molecular weight of 360.48 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane.

Molecular Properties

Compound Name1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane
PubChem CID2294660
Molecular FormulaC24H25FN2
Molecular Weight360.48 g/mol
Exact Mass360.20
IUPAC Name1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane
SMILESFc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C24H25FN2/c25-23-15-8-7-14-22(23)24-26(18-20-10-3-1-4-11-20)16-9-17-27(24)19-21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19H2
InChIKeyCMYCMFFKLWWPFO-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane?
The IUPAC name of 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane (CID 2294660) is 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane.
What is the SMILES notation for 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane?
The canonical SMILES for 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane is Fc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane?
The InChIKey is CMYCMFFKLWWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2/c25-23-15-8-7-14-22(23)24-26(18-20-10-3-1-4-11-20)16-9-17-27(24)19-21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19H2.
What are the key properties of 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane?
1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane has a molecular weight of 360.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(2-fluorophenyl)-1,3-diazinane is sourced from PubChem (CID 2294660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).